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CHEMBRIDGE-ZINC04654339

 MMsINC code: MMs00774598
Type: Neutral
Formula: C13H19N5O4
SMILES:   O=C1NC(=O)NC(=O)C1=CNCCN1CCN(CC1)C(=O)C
InChI:   InChI=1/C13H19N5O4/c1-9(19)18-6-4-17(5-7-18)3-2-14-8-10-11(20)15-13(22)16-12(10)21/h8,14H,2-7H2,1H3,(H2,15,16,20,21,22)

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Potential Energy
Epot(MMFF94)=28.075 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 309.326 g/mol  logS: -0.69756  SlogP: -2.01  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0288942  Sterimol/B1: 2.28185  Sterimol/B2: 3.04026  Sterimol/B3: 4.21436
  Sterimol/B4: 5.3444  Sterimol/L: 18.4488 
 
 Surface and Volume Properties
  Accessible surface: 542.581  Positive charged surface: 379.343  Negative charged surface: 163.238  Volume: 276.625
  Hydrophobic surface: 298.316  Hydrophilic surface: 244.265
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules


MMs00774599
CHEMBRIDGE-ZINC04654339